USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 TYR OH : rot 180:sc=-0.00679 USER MOD Set 1.2: A 108 SER OG : rot 177:sc= 0.045 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -136:sc= 0.0635 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 33 SER OG : rot 75:sc= 0.00136 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -130:sc= -0.758 USER MOD Single : A 40 SER OG : rot -32:sc= 0.127 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0989 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 120:sc= 0 USER MOD Single : A 66 SER OG : rot 67:sc= 0.308 USER MOD Single : A 68 CYS SG : rot 13:sc= -1.82 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 77 LYS NZ :NH3+ -127:sc= -1.07! (180deg=-6.64!) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 165:sc= -0.547 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -152:sc= -0.186 (180deg=-2.13) USER MOD Single : A 107 CYS SG : rot 180:sc= -1.76! USER MOD Single : A 110 SER OG : rot 180:sc=-0.00425 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 1.000 -20.489 7.794 1.00 0.00 N ATOM 293 CA THR A 18 1.535 -19.679 6.704 1.00 0.00 C ATOM 294 C THR A 18 2.691 -18.826 7.209 1.00 0.00 C ATOM 295 O THR A 18 2.948 -18.764 8.411 1.00 0.00 O ATOM 296 CB THR A 18 0.435 -18.764 6.154 1.00 0.00 C ATOM 297 OG1 THR A 18 0.327 -17.611 6.973 1.00 0.00 O ATOM 298 CG2 THR A 18 -0.901 -19.504 6.157 1.00 0.00 C ATOM 0 HA THR A 18 1.892 -20.340 5.914 1.00 0.00 H new ATOM 0 HB THR A 18 0.688 -18.472 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.375 -17.025 6.621 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.680 -18.850 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.826 -20.394 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.152 -19.797 7.176 1.00 0.00 H new ATOM 306 N ARG A 19 3.394 -18.177 6.283 1.00 0.00 N ATOM 307 CA ARG A 19 4.534 -17.336 6.643 1.00 0.00 C ATOM 308 C ARG A 19 4.143 -15.871 6.572 1.00 0.00 C ATOM 309 O ARG A 19 3.469 -15.442 5.634 1.00 0.00 O ATOM 310 CB ARG A 19 5.694 -17.597 5.683 1.00 0.00 C ATOM 311 CG ARG A 19 6.165 -19.043 5.838 1.00 0.00 C ATOM 312 CD ARG A 19 7.263 -19.333 4.817 1.00 0.00 C ATOM 313 NE ARG A 19 8.430 -18.495 5.084 1.00 0.00 N ATOM 314 CZ ARG A 19 9.371 -18.870 5.948 1.00 0.00 C ATOM 315 NH1 ARG A 19 9.264 -20.007 6.579 1.00 0.00 N ATOM 316 NH2 ARG A 19 10.401 -18.099 6.166 1.00 0.00 N ATOM 0 H ARG A 19 3.196 -18.217 5.283 1.00 0.00 H new ATOM 0 HA ARG A 19 4.841 -17.578 7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.379 -17.414 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.515 -16.911 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.540 -19.208 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.329 -19.727 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.543 -20.385 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.893 -19.144 3.809 1.00 0.00 H new ATOM 0 HE ARG A 19 8.526 -17.603 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.459 -20.610 6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.986 -20.293 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.485 -17.209 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.122 -18.386 6.828 1.00 0.00 H new ATOM 330 N LYS A 20 4.561 -15.101 7.577 1.00 0.00 N ATOM 331 CA LYS A 20 4.239 -13.677 7.625 1.00 0.00 C ATOM 332 C LYS A 20 5.469 -12.852 7.252 1.00 0.00 C ATOM 333 O LYS A 20 6.517 -12.954 7.890 1.00 0.00 O ATOM 334 CB LYS A 20 3.754 -13.302 9.044 1.00 0.00 C ATOM 335 CG LYS A 20 2.651 -12.235 8.966 1.00 0.00 C ATOM 336 CD LYS A 20 2.083 -11.988 10.360 1.00 0.00 C ATOM 337 CE LYS A 20 0.889 -11.042 10.250 1.00 0.00 C ATOM 338 NZ LYS A 20 0.245 -10.904 11.585 1.00 0.00 N ATOM 0 H LYS A 20 5.119 -15.437 8.362 1.00 0.00 H new ATOM 0 HA LYS A 20 3.445 -13.463 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.376 -14.189 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.590 -12.928 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.054 -11.309 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.860 -12.563 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.776 -12.930 10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.847 -11.556 11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.215 -10.067 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.171 -11.427 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.569 -10.260 11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.079 -11.836 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.932 -10.519 12.264 1.00 0.00 H new ATOM 352 N ILE A 21 5.323 -12.038 6.212 1.00 0.00 N ATOM 353 CA ILE A 21 6.415 -11.190 5.739 1.00 0.00 C ATOM 354 C ILE A 21 6.229 -9.772 6.257 1.00 0.00 C ATOM 355 O ILE A 21 5.105 -9.317 6.456 1.00 0.00 O ATOM 356 CB ILE A 21 6.458 -11.180 4.206 1.00 0.00 C ATOM 357 CG1 ILE A 21 5.234 -10.402 3.641 1.00 0.00 C ATOM 358 CG2 ILE A 21 6.444 -12.632 3.703 1.00 0.00 C ATOM 359 CD1 ILE A 21 5.662 -9.001 3.183 1.00 0.00 C ATOM 0 H ILE A 21 4.458 -11.946 5.679 1.00 0.00 H new ATOM 0 HA ILE A 21 7.357 -11.591 6.114 1.00 0.00 H new ATOM 0 HB ILE A 21 7.366 -10.682 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.801 -10.950 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.460 -10.322 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.474 -12.640 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.313 -13.161 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.535 -13.127 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.797 -8.467 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.074 -8.452 4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.419 -9.088 2.404 1.00 0.00 H new ATOM 371 N LYS A 22 7.341 -9.073 6.476 1.00 0.00 N ATOM 372 CA LYS A 22 7.296 -7.698 6.970 1.00 0.00 C ATOM 373 C LYS A 22 8.175 -6.783 6.120 1.00 0.00 C ATOM 374 O LYS A 22 8.572 -5.706 6.562 1.00 0.00 O ATOM 375 CB LYS A 22 7.762 -7.662 8.423 1.00 0.00 C ATOM 376 CG LYS A 22 9.240 -8.047 8.496 1.00 0.00 C ATOM 377 CD LYS A 22 9.656 -8.193 9.960 1.00 0.00 C ATOM 378 CE LYS A 22 9.419 -6.872 10.700 1.00 0.00 C ATOM 379 NZ LYS A 22 10.278 -6.830 11.916 1.00 0.00 N ATOM 0 H LYS A 22 8.282 -9.435 6.320 1.00 0.00 H new ATOM 0 HA LYS A 22 6.269 -7.340 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.614 -6.665 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.166 -8.349 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.410 -8.983 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.850 -7.287 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.085 -8.993 10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.708 -8.472 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.650 -6.030 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.369 -6.781 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.120 -5.935 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.037 -7.627 12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.278 -6.899 11.637 1.00 0.00 H new ATOM 393 N ILE A 23 8.478 -7.222 4.900 1.00 0.00 N ATOM 394 CA ILE A 23 9.312 -6.434 3.993 1.00 0.00 C ATOM 395 C ILE A 23 8.437 -5.577 3.089 1.00 0.00 C ATOM 396 O ILE A 23 7.585 -6.089 2.364 1.00 0.00 O ATOM 397 CB ILE A 23 10.184 -7.363 3.141 1.00 0.00 C ATOM 398 CG1 ILE A 23 11.241 -8.032 4.033 1.00 0.00 C ATOM 399 CG2 ILE A 23 10.884 -6.554 2.038 1.00 0.00 C ATOM 400 CD1 ILE A 23 10.567 -8.898 5.104 1.00 0.00 C ATOM 0 H ILE A 23 8.161 -8.113 4.518 1.00 0.00 H new ATOM 0 HA ILE A 23 9.956 -5.784 4.585 1.00 0.00 H new ATOM 0 HB ILE A 23 9.555 -8.126 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.904 -8.646 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.859 -7.271 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.502 -7.219 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.135 -6.081 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.512 -5.787 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.330 -9.365 5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.923 -8.274 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.968 -9.671 4.623 1.00 0.00 H new ATOM 412 N THR A 24 8.655 -4.266 3.138 1.00 0.00 N ATOM 413 CA THR A 24 7.888 -3.335 2.319 1.00 0.00 C ATOM 414 C THR A 24 8.781 -2.203 1.826 1.00 0.00 C ATOM 415 O THR A 24 9.555 -1.630 2.593 1.00 0.00 O ATOM 416 CB THR A 24 6.732 -2.758 3.135 1.00 0.00 C ATOM 417 OG1 THR A 24 5.938 -3.824 3.637 1.00 0.00 O ATOM 418 CG2 THR A 24 5.878 -1.862 2.239 1.00 0.00 C ATOM 0 H THR A 24 9.355 -3.826 3.735 1.00 0.00 H new ATOM 0 HA THR A 24 7.491 -3.873 1.458 1.00 0.00 H new ATOM 0 HB THR A 24 7.123 -2.171 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.989 -3.610 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.052 -1.449 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.490 -1.049 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.482 -2.448 1.410 1.00 0.00 H new ATOM 426 N PHE A 25 8.667 -1.879 0.539 1.00 0.00 N ATOM 427 CA PHE A 25 9.463 -0.804 -0.052 1.00 0.00 C ATOM 428 C PHE A 25 8.649 0.481 -0.105 1.00 0.00 C ATOM 429 O PHE A 25 7.593 0.530 -0.733 1.00 0.00 O ATOM 430 CB PHE A 25 9.887 -1.190 -1.465 1.00 0.00 C ATOM 431 CG PHE A 25 10.869 -0.170 -1.991 1.00 0.00 C ATOM 432 CD1 PHE A 25 10.404 1.022 -2.558 1.00 0.00 C ATOM 433 CD2 PHE A 25 12.245 -0.414 -1.906 1.00 0.00 C ATOM 434 CE1 PHE A 25 11.314 1.971 -3.042 1.00 0.00 C ATOM 435 CE2 PHE A 25 13.155 0.534 -2.389 1.00 0.00 C ATOM 436 CZ PHE A 25 12.691 1.727 -2.956 1.00 0.00 C ATOM 0 H PHE A 25 8.034 -2.343 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 25 10.348 -0.645 0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.342 -2.181 -1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.015 -1.241 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.343 1.211 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.604 -1.333 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.954 2.890 -3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.216 0.345 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.394 2.458 -3.327 1.00 0.00 H new ATOM 446 N ALA A 26 9.148 1.524 0.559 1.00 0.00 N ATOM 447 CA ALA A 26 8.463 2.817 0.588 1.00 0.00 C ATOM 448 C ALA A 26 9.154 3.806 -0.341 1.00 0.00 C ATOM 449 O ALA A 26 10.376 3.783 -0.493 1.00 0.00 O ATOM 450 CB ALA A 26 8.462 3.371 2.011 1.00 0.00 C ATOM 0 H ALA A 26 10.023 1.499 1.083 1.00 0.00 H new ATOM 0 HA ALA A 26 7.436 2.673 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.951 4.334 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.945 2.675 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.489 3.500 2.352 1.00 0.00 H new ATOM 456 N LEU A 27 8.363 4.674 -0.959 1.00 0.00 N ATOM 457 CA LEU A 27 8.906 5.672 -1.869 1.00 0.00 C ATOM 458 C LEU A 27 9.800 6.656 -1.123 1.00 0.00 C ATOM 459 O LEU A 27 10.863 7.041 -1.610 1.00 0.00 O ATOM 460 CB LEU A 27 7.759 6.421 -2.558 1.00 0.00 C ATOM 461 CG LEU A 27 7.207 5.573 -3.722 1.00 0.00 C ATOM 462 CD1 LEU A 27 8.248 5.458 -4.861 1.00 0.00 C ATOM 463 CD2 LEU A 27 6.847 4.177 -3.188 1.00 0.00 C ATOM 0 H LEU A 27 7.350 4.707 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 27 9.510 5.165 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.966 6.630 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.112 7.382 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 27 6.319 6.055 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.836 4.856 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.489 6.453 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.153 4.984 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.455 3.566 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.738 3.704 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.092 4.270 -2.407 1.00 0.00 H new ATOM 475 N ASP A 28 9.357 7.063 0.062 1.00 0.00 N ATOM 476 CA ASP A 28 10.117 8.008 0.873 1.00 0.00 C ATOM 477 C ASP A 28 9.855 7.764 2.354 1.00 0.00 C ATOM 478 O ASP A 28 9.183 6.802 2.727 1.00 0.00 O ATOM 479 CB ASP A 28 9.725 9.441 0.509 1.00 0.00 C ATOM 480 CG ASP A 28 10.081 9.726 -0.946 1.00 0.00 C ATOM 481 OD1 ASP A 28 11.194 10.163 -1.187 1.00 0.00 O ATOM 482 OD2 ASP A 28 9.237 9.502 -1.797 1.00 0.00 O ATOM 0 H ASP A 28 8.479 6.755 0.481 1.00 0.00 H new ATOM 0 HA ASP A 28 11.179 7.864 0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.656 9.585 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.240 10.145 1.163 1.00 0.00 H new ATOM 487 N ALA A 29 10.394 8.638 3.193 1.00 0.00 N ATOM 488 CA ALA A 29 10.214 8.510 4.633 1.00 0.00 C ATOM 489 C ALA A 29 8.740 8.640 5.007 1.00 0.00 C ATOM 490 O ALA A 29 8.248 7.950 5.906 1.00 0.00 O ATOM 491 CB ALA A 29 11.025 9.589 5.353 1.00 0.00 C ATOM 0 H ALA A 29 10.956 9.439 2.904 1.00 0.00 H new ATOM 0 HA ALA A 29 10.564 7.524 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.888 9.490 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.081 9.473 5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.685 10.574 5.033 1.00 0.00 H new ATOM 497 N THR A 30 8.037 9.531 4.313 1.00 0.00 N ATOM 498 CA THR A 30 6.621 9.749 4.582 1.00 0.00 C ATOM 499 C THR A 30 5.839 8.458 4.373 1.00 0.00 C ATOM 500 O THR A 30 5.045 8.052 5.227 1.00 0.00 O ATOM 501 CB THR A 30 6.072 10.835 3.646 1.00 0.00 C ATOM 502 OG1 THR A 30 5.622 10.235 2.440 1.00 0.00 O ATOM 503 CG2 THR A 30 7.172 11.845 3.321 1.00 0.00 C ATOM 0 H THR A 30 8.422 10.109 3.566 1.00 0.00 H new ATOM 0 HA THR A 30 6.509 10.071 5.617 1.00 0.00 H new ATOM 0 HB THR A 30 5.244 11.346 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.270 10.927 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.776 12.613 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.524 12.309 4.242 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.002 11.335 2.832 1.00 0.00 H new ATOM 511 N PHE A 31 6.075 7.812 3.241 1.00 0.00 N ATOM 512 CA PHE A 31 5.394 6.565 2.937 1.00 0.00 C ATOM 513 C PHE A 31 5.835 5.466 3.896 1.00 0.00 C ATOM 514 O PHE A 31 5.051 4.594 4.263 1.00 0.00 O ATOM 515 CB PHE A 31 5.680 6.140 1.494 1.00 0.00 C ATOM 516 CG PHE A 31 4.982 7.079 0.540 1.00 0.00 C ATOM 517 CD1 PHE A 31 3.639 6.869 0.205 1.00 0.00 C ATOM 518 CD2 PHE A 31 5.679 8.162 -0.009 1.00 0.00 C ATOM 519 CE1 PHE A 31 2.993 7.742 -0.680 1.00 0.00 C ATOM 520 CE2 PHE A 31 5.033 9.034 -0.894 1.00 0.00 C ATOM 521 CZ PHE A 31 3.691 8.824 -1.228 1.00 0.00 C ATOM 0 H PHE A 31 6.728 8.128 2.524 1.00 0.00 H new ATOM 0 HA PHE A 31 4.322 6.724 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.754 6.149 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.337 5.118 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.101 6.034 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.715 8.325 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.957 7.580 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.571 9.869 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.193 9.498 -1.910 1.00 0.00 H new ATOM 531 N ASP A 32 7.096 5.512 4.304 1.00 0.00 N ATOM 532 CA ASP A 32 7.619 4.510 5.221 1.00 0.00 C ATOM 533 C ASP A 32 6.819 4.507 6.519 1.00 0.00 C ATOM 534 O ASP A 32 6.426 3.449 7.015 1.00 0.00 O ATOM 535 CB ASP A 32 9.090 4.803 5.523 1.00 0.00 C ATOM 536 CG ASP A 32 9.636 3.776 6.508 1.00 0.00 C ATOM 537 OD1 ASP A 32 8.970 2.778 6.726 1.00 0.00 O ATOM 538 OD2 ASP A 32 10.714 4.006 7.035 1.00 0.00 O ATOM 0 H ASP A 32 7.769 6.224 4.018 1.00 0.00 H new ATOM 0 HA ASP A 32 7.533 3.529 4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.671 4.779 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.192 5.806 5.937 1.00 0.00 H new ATOM 543 N SER A 33 6.576 5.695 7.062 1.00 0.00 N ATOM 544 CA SER A 33 5.813 5.811 8.299 1.00 0.00 C ATOM 545 C SER A 33 4.356 5.421 8.075 1.00 0.00 C ATOM 546 O SER A 33 3.750 4.744 8.906 1.00 0.00 O ATOM 547 CB SER A 33 5.885 7.239 8.830 1.00 0.00 C ATOM 548 OG SER A 33 7.241 7.582 9.072 1.00 0.00 O ATOM 0 H SER A 33 6.892 6.582 6.670 1.00 0.00 H new ATOM 0 HA SER A 33 6.249 5.131 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.446 7.930 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.306 7.327 9.749 1.00 0.00 H new ATOM 0 HG SER A 33 7.695 7.743 8.219 1.00 0.00 H new ATOM 554 N VAL A 34 3.788 5.865 6.955 1.00 0.00 N ATOM 555 CA VAL A 34 2.393 5.559 6.654 1.00 0.00 C ATOM 556 C VAL A 34 2.183 4.053 6.519 1.00 0.00 C ATOM 557 O VAL A 34 1.277 3.487 7.127 1.00 0.00 O ATOM 558 CB VAL A 34 1.989 6.251 5.349 1.00 0.00 C ATOM 559 CG1 VAL A 34 0.602 5.775 4.914 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.960 7.766 5.565 1.00 0.00 C ATOM 0 H VAL A 34 4.264 6.429 6.251 1.00 0.00 H new ATOM 0 HA VAL A 34 1.774 5.922 7.474 1.00 0.00 H new ATOM 0 HB VAL A 34 2.713 6.003 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.322 6.272 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.620 4.696 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.125 6.017 5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.673 8.260 4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.238 8.009 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.949 8.109 5.868 1.00 0.00 H new ATOM 570 N LEU A 35 3.038 3.409 5.734 1.00 0.00 N ATOM 571 CA LEU A 35 2.943 1.967 5.542 1.00 0.00 C ATOM 572 C LEU A 35 3.201 1.229 6.847 1.00 0.00 C ATOM 573 O LEU A 35 2.530 0.247 7.165 1.00 0.00 O ATOM 574 CB LEU A 35 3.940 1.516 4.460 1.00 0.00 C ATOM 575 CG LEU A 35 3.263 1.533 3.072 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.204 0.401 2.983 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.600 2.907 2.824 1.00 0.00 C ATOM 0 H LEU A 35 3.799 3.858 5.224 1.00 0.00 H new ATOM 0 HA LEU A 35 1.932 1.725 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.808 2.175 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.302 0.513 4.684 1.00 0.00 H new ATOM 0 HG LEU A 35 4.020 1.365 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.732 0.421 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.689 -0.564 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.447 0.550 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.125 2.910 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.849 3.092 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.358 3.689 2.862 1.00 0.00 H new ATOM 589 N SER A 36 4.180 1.701 7.596 1.00 0.00 N ATOM 590 CA SER A 36 4.518 1.074 8.860 1.00 0.00 C ATOM 591 C SER A 36 3.322 1.102 9.803 1.00 0.00 C ATOM 592 O SER A 36 3.036 0.127 10.492 1.00 0.00 O ATOM 593 CB SER A 36 5.698 1.804 9.498 1.00 0.00 C ATOM 594 OG SER A 36 5.805 1.415 10.859 1.00 0.00 O ATOM 0 H SER A 36 4.751 2.510 7.354 1.00 0.00 H new ATOM 0 HA SER A 36 4.793 0.036 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.619 1.567 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.557 2.882 9.425 1.00 0.00 H new ATOM 0 HG SER A 36 6.562 1.879 11.273 1.00 0.00 H new ATOM 600 N LYS A 37 2.628 2.231 9.827 1.00 0.00 N ATOM 601 CA LYS A 37 1.464 2.380 10.689 1.00 0.00 C ATOM 602 C LYS A 37 0.266 1.622 10.130 1.00 0.00 C ATOM 603 O LYS A 37 -0.588 1.151 10.879 1.00 0.00 O ATOM 604 CB LYS A 37 1.106 3.863 10.848 1.00 0.00 C ATOM 605 CG LYS A 37 0.175 4.052 12.064 1.00 0.00 C ATOM 606 CD LYS A 37 1.004 4.224 13.343 1.00 0.00 C ATOM 607 CE LYS A 37 0.067 4.445 14.530 1.00 0.00 C ATOM 608 NZ LYS A 37 0.878 4.606 15.768 1.00 0.00 N ATOM 0 H LYS A 37 2.849 3.052 9.264 1.00 0.00 H new ATOM 0 HA LYS A 37 1.715 1.962 11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.013 4.453 10.979 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.617 4.227 9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.460 4.925 11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.486 3.191 12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.620 3.341 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.682 5.071 13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.547 5.331 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.614 3.600 14.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.246 4.757 16.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.445 3.749 15.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.510 5.425 15.665 1.00 0.00 H new ATOM 622 N ALA A 38 0.203 1.526 8.807 1.00 0.00 N ATOM 623 CA ALA A 38 -0.904 0.842 8.149 1.00 0.00 C ATOM 624 C ALA A 38 -0.656 -0.657 8.100 1.00 0.00 C ATOM 625 O ALA A 38 -1.045 -1.391 9.009 1.00 0.00 O ATOM 626 CB ALA A 38 -1.073 1.376 6.729 1.00 0.00 C ATOM 0 H ALA A 38 0.902 1.911 8.171 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.813 1.029 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.902 0.861 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.281 2.445 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.157 1.204 6.164 1.00 0.00 H new ATOM 632 N CYS A 39 -0.004 -1.112 7.031 1.00 0.00 N ATOM 633 CA CYS A 39 0.294 -2.535 6.863 1.00 0.00 C ATOM 634 C CYS A 39 1.786 -2.792 7.041 1.00 0.00 C ATOM 635 O CYS A 39 2.566 -2.662 6.098 1.00 0.00 O ATOM 636 CB CYS A 39 -0.138 -2.998 5.475 1.00 0.00 C ATOM 637 SG CYS A 39 -1.858 -2.514 5.195 1.00 0.00 S ATOM 0 H CYS A 39 0.327 -0.519 6.270 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.256 -3.094 7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.505 -2.555 4.714 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.034 -4.080 5.391 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.534 -3.540 4.771 1.00 0.00 H new ATOM 643 N SER A 40 2.177 -3.163 8.257 1.00 0.00 N ATOM 644 CA SER A 40 3.580 -3.443 8.556 1.00 0.00 C ATOM 645 C SER A 40 3.904 -4.909 8.296 1.00 0.00 C ATOM 646 O SER A 40 5.069 -5.305 8.292 1.00 0.00 O ATOM 647 CB SER A 40 3.880 -3.115 10.015 1.00 0.00 C ATOM 648 OG SER A 40 5.288 -3.106 10.215 1.00 0.00 O ATOM 0 H SER A 40 1.545 -3.277 9.050 1.00 0.00 H new ATOM 0 HA SER A 40 4.196 -2.822 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.458 -2.144 10.276 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.413 -3.852 10.669 1.00 0.00 H new ATOM 0 HG SER A 40 5.707 -3.764 9.622 1.00 0.00 H new ATOM 654 N GLU A 41 2.864 -5.715 8.084 1.00 0.00 N ATOM 655 CA GLU A 41 3.051 -7.142 7.830 1.00 0.00 C ATOM 656 C GLU A 41 2.009 -7.652 6.839 1.00 0.00 C ATOM 657 O GLU A 41 0.938 -7.062 6.694 1.00 0.00 O ATOM 658 CB GLU A 41 2.935 -7.932 9.133 1.00 0.00 C ATOM 659 CG GLU A 41 4.063 -7.526 10.083 1.00 0.00 C ATOM 660 CD GLU A 41 4.001 -8.360 11.356 1.00 0.00 C ATOM 661 OE1 GLU A 41 3.116 -9.194 11.452 1.00 0.00 O ATOM 662 OE2 GLU A 41 4.843 -8.158 12.215 1.00 0.00 O ATOM 0 H GLU A 41 1.892 -5.407 8.083 1.00 0.00 H new ATOM 0 HA GLU A 41 4.046 -7.282 7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.968 -7.743 9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.987 -9.001 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.028 -7.665 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.979 -6.467 10.328 1.00 0.00 H new ATOM 669 N PHE A 42 2.328 -8.752 6.159 1.00 0.00 N ATOM 670 CA PHE A 42 1.407 -9.337 5.184 1.00 0.00 C ATOM 671 C PHE A 42 1.488 -10.862 5.216 1.00 0.00 C ATOM 672 O PHE A 42 2.557 -11.447 5.025 1.00 0.00 O ATOM 673 CB PHE A 42 1.752 -8.836 3.777 1.00 0.00 C ATOM 674 CG PHE A 42 1.957 -7.339 3.814 1.00 0.00 C ATOM 675 CD1 PHE A 42 3.146 -6.808 4.335 1.00 0.00 C ATOM 676 CD2 PHE A 42 0.963 -6.481 3.326 1.00 0.00 C ATOM 677 CE1 PHE A 42 3.337 -5.423 4.367 1.00 0.00 C ATOM 678 CE2 PHE A 42 1.158 -5.096 3.358 1.00 0.00 C ATOM 679 CZ PHE A 42 2.344 -4.566 3.879 1.00 0.00 C ATOM 0 H PHE A 42 3.210 -9.254 6.263 1.00 0.00 H new ATOM 0 HA PHE A 42 0.392 -9.033 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.654 -9.329 3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.950 -9.087 3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.913 -7.468 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.047 -6.888 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.252 -5.014 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.392 -4.435 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.493 -3.497 3.904 1.00 0.00 H new ATOM 689 N GLU A 43 0.351 -11.505 5.463 1.00 0.00 N ATOM 690 CA GLU A 43 0.305 -12.958 5.514 1.00 0.00 C ATOM 691 C GLU A 43 0.507 -13.545 4.121 1.00 0.00 C ATOM 692 O GLU A 43 -0.077 -13.068 3.148 1.00 0.00 O ATOM 693 CB GLU A 43 -1.042 -13.415 6.080 1.00 0.00 C ATOM 694 CG GLU A 43 -2.175 -12.864 5.208 1.00 0.00 C ATOM 695 CD GLU A 43 -3.523 -13.190 5.840 1.00 0.00 C ATOM 696 OE1 GLU A 43 -3.540 -13.938 6.804 1.00 0.00 O ATOM 697 OE2 GLU A 43 -4.520 -12.688 5.350 1.00 0.00 O ATOM 0 H GLU A 43 -0.544 -11.045 5.630 1.00 0.00 H new ATOM 0 HA GLU A 43 1.107 -13.311 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.086 -14.504 6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.155 -13.065 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.068 -11.785 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.119 -13.295 4.208 1.00 0.00 H new ATOM 704 N VAL A 44 1.341 -14.577 4.032 1.00 0.00 N ATOM 705 CA VAL A 44 1.617 -15.227 2.750 1.00 0.00 C ATOM 706 C VAL A 44 1.600 -16.745 2.902 1.00 0.00 C ATOM 707 O VAL A 44 2.217 -17.295 3.816 1.00 0.00 O ATOM 708 CB VAL A 44 2.981 -14.777 2.226 1.00 0.00 C ATOM 709 CG1 VAL A 44 3.273 -15.479 0.901 1.00 0.00 C ATOM 710 CG2 VAL A 44 2.964 -13.262 2.006 1.00 0.00 C ATOM 0 H VAL A 44 1.836 -14.981 4.827 1.00 0.00 H new ATOM 0 HA VAL A 44 0.841 -14.939 2.041 1.00 0.00 H new ATOM 0 HB VAL A 44 3.754 -15.033 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.245 -15.159 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.281 -16.558 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.502 -15.221 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.935 -12.938 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.192 -13.009 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.752 -12.760 2.950 1.00 0.00 H new ATOM 720 N ASP A 45 0.900 -17.413 1.992 1.00 0.00 N ATOM 721 CA ASP A 45 0.810 -18.869 2.017 1.00 0.00 C ATOM 722 C ASP A 45 2.200 -19.483 1.916 1.00 0.00 C ATOM 723 O ASP A 45 3.184 -18.781 1.693 1.00 0.00 O ATOM 724 CB ASP A 45 -0.061 -19.371 0.862 1.00 0.00 C ATOM 725 CG ASP A 45 -0.478 -20.816 1.115 1.00 0.00 C ATOM 726 OD1 ASP A 45 -0.842 -21.117 2.240 1.00 0.00 O ATOM 727 OD2 ASP A 45 -0.427 -21.599 0.183 1.00 0.00 O ATOM 0 H ASP A 45 0.387 -16.971 1.229 1.00 0.00 H new ATOM 0 HA ASP A 45 0.353 -19.169 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.945 -18.741 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.489 -19.301 -0.076 1.00 0.00 H new ATOM 732 N LYS A 46 2.277 -20.798 2.086 1.00 0.00 N ATOM 733 CA LYS A 46 3.556 -21.489 2.015 1.00 0.00 C ATOM 734 C LYS A 46 4.305 -21.112 0.743 1.00 0.00 C ATOM 735 O LYS A 46 5.527 -20.962 0.752 1.00 0.00 O ATOM 736 CB LYS A 46 3.321 -23.004 2.052 1.00 0.00 C ATOM 737 CG LYS A 46 2.452 -23.426 0.859 1.00 0.00 C ATOM 738 CD LYS A 46 2.145 -24.928 0.936 1.00 0.00 C ATOM 739 CE LYS A 46 1.037 -25.197 1.964 1.00 0.00 C ATOM 740 NZ LYS A 46 0.517 -26.580 1.776 1.00 0.00 N ATOM 0 H LYS A 46 1.476 -21.401 2.272 1.00 0.00 H new ATOM 0 HA LYS A 46 4.162 -21.191 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.275 -23.530 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.833 -23.283 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.523 -22.856 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.967 -23.199 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.837 -25.293 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.046 -25.476 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.426 -25.077 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.231 -24.473 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.234 -26.766 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.132 -26.678 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.290 -27.263 1.911 1.00 0.00 H new ATOM 754 N ASP A 47 3.569 -20.965 -0.356 1.00 0.00 N ATOM 755 CA ASP A 47 4.171 -20.606 -1.635 1.00 0.00 C ATOM 756 C ASP A 47 3.204 -19.754 -2.446 1.00 0.00 C ATOM 757 O ASP A 47 2.147 -20.226 -2.866 1.00 0.00 O ATOM 758 CB ASP A 47 4.526 -21.867 -2.422 1.00 0.00 C ATOM 759 CG ASP A 47 5.341 -21.495 -3.654 1.00 0.00 C ATOM 760 OD1 ASP A 47 5.307 -20.337 -4.034 1.00 0.00 O ATOM 761 OD2 ASP A 47 5.991 -22.373 -4.199 1.00 0.00 O ATOM 0 H ASP A 47 2.557 -21.089 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 47 5.080 -20.036 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.094 -22.552 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.617 -22.388 -2.720 1.00 0.00 H new ATOM 766 N VAL A 48 3.574 -18.498 -2.665 1.00 0.00 N ATOM 767 CA VAL A 48 2.741 -17.572 -3.430 1.00 0.00 C ATOM 768 C VAL A 48 3.550 -16.924 -4.539 1.00 0.00 C ATOM 769 O VAL A 48 4.781 -16.913 -4.504 1.00 0.00 O ATOM 770 CB VAL A 48 2.181 -16.488 -2.505 1.00 0.00 C ATOM 771 CG1 VAL A 48 1.332 -15.507 -3.319 1.00 0.00 C ATOM 772 CG2 VAL A 48 1.308 -17.140 -1.428 1.00 0.00 C ATOM 0 H VAL A 48 4.447 -18.095 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 48 1.918 -18.132 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 48 3.005 -15.952 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.934 -14.736 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.949 -15.043 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.508 -16.043 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.908 -16.370 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.485 -17.675 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.909 -17.839 -0.847 1.00 0.00 H new ATOM 782 N THR A 49 2.849 -16.381 -5.530 1.00 0.00 N ATOM 783 CA THR A 49 3.502 -15.727 -6.658 1.00 0.00 C ATOM 784 C THR A 49 3.557 -14.226 -6.435 1.00 0.00 C ATOM 785 O THR A 49 2.537 -13.588 -6.178 1.00 0.00 O ATOM 786 CB THR A 49 2.734 -16.012 -7.950 1.00 0.00 C ATOM 787 OG1 THR A 49 2.972 -14.966 -8.881 1.00 0.00 O ATOM 788 CG2 THR A 49 1.237 -16.099 -7.650 1.00 0.00 C ATOM 0 H THR A 49 1.830 -16.381 -5.574 1.00 0.00 H new ATOM 0 HA THR A 49 4.515 -16.119 -6.742 1.00 0.00 H new ATOM 0 HB THR A 49 3.072 -16.959 -8.371 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.482 -15.148 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.692 -16.302 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.055 -16.903 -6.937 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.895 -15.154 -7.227 1.00 0.00 H new ATOM 796 N LEU A 50 4.761 -13.674 -6.521 1.00 0.00 N ATOM 797 CA LEU A 50 4.963 -12.243 -6.323 1.00 0.00 C ATOM 798 C LEU A 50 3.817 -11.445 -6.936 1.00 0.00 C ATOM 799 O LEU A 50 3.537 -10.321 -6.520 1.00 0.00 O ATOM 800 CB LEU A 50 6.278 -11.809 -6.973 1.00 0.00 C ATOM 801 CG LEU A 50 6.348 -12.319 -8.441 1.00 0.00 C ATOM 802 CD1 LEU A 50 6.928 -11.233 -9.359 1.00 0.00 C ATOM 803 CD2 LEU A 50 7.243 -13.570 -8.529 1.00 0.00 C ATOM 0 H LEU A 50 5.613 -14.195 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 50 4.997 -12.049 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.360 -10.722 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.120 -12.202 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 50 5.336 -12.566 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.970 -11.606 -10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.293 -10.348 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.933 -10.973 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.283 -13.917 -9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.249 -13.322 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.831 -14.357 -7.898 1.00 0.00 H new ATOM 815 N ASP A 51 3.152 -12.043 -7.920 1.00 0.00 N ATOM 816 CA ASP A 51 2.031 -11.390 -8.577 1.00 0.00 C ATOM 817 C ASP A 51 0.928 -11.087 -7.563 1.00 0.00 C ATOM 818 O ASP A 51 0.380 -9.981 -7.536 1.00 0.00 O ATOM 819 CB ASP A 51 1.474 -12.300 -9.676 1.00 0.00 C ATOM 820 CG ASP A 51 2.433 -12.347 -10.860 1.00 0.00 C ATOM 821 OD1 ASP A 51 3.308 -11.500 -10.924 1.00 0.00 O ATOM 822 OD2 ASP A 51 2.279 -13.231 -11.688 1.00 0.00 O ATOM 0 H ASP A 51 3.370 -12.973 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 51 2.379 -10.455 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.321 -13.305 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.500 -11.934 -10.002 1.00 0.00 H new ATOM 827 N GLU A 52 0.612 -12.071 -6.729 1.00 0.00 N ATOM 828 CA GLU A 52 -0.422 -11.894 -5.719 1.00 0.00 C ATOM 829 C GLU A 52 0.001 -10.821 -4.725 1.00 0.00 C ATOM 830 O GLU A 52 -0.797 -9.970 -4.341 1.00 0.00 O ATOM 831 CB GLU A 52 -0.662 -13.204 -4.971 1.00 0.00 C ATOM 832 CG GLU A 52 -1.930 -13.090 -4.119 1.00 0.00 C ATOM 833 CD GLU A 52 -3.162 -13.144 -5.013 1.00 0.00 C ATOM 834 OE1 GLU A 52 -3.004 -13.419 -6.192 1.00 0.00 O ATOM 835 OE2 GLU A 52 -4.249 -12.911 -4.507 1.00 0.00 O ATOM 0 H GLU A 52 1.053 -12.991 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.343 -11.590 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.762 -14.025 -5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.194 -13.433 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.963 -13.900 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.918 -12.156 -3.557 1.00 0.00 H new ATOM 842 N LEU A 53 1.262 -10.865 -4.316 1.00 0.00 N ATOM 843 CA LEU A 53 1.773 -9.883 -3.369 1.00 0.00 C ATOM 844 C LEU A 53 1.691 -8.487 -3.970 1.00 0.00 C ATOM 845 O LEU A 53 1.363 -7.532 -3.279 1.00 0.00 O ATOM 846 CB LEU A 53 3.224 -10.201 -2.992 1.00 0.00 C ATOM 847 CG LEU A 53 3.772 -9.142 -2.018 1.00 0.00 C ATOM 848 CD1 LEU A 53 2.931 -9.114 -0.729 1.00 0.00 C ATOM 849 CD2 LEU A 53 5.229 -9.477 -1.682 1.00 0.00 C ATOM 0 H LEU A 53 1.943 -11.561 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 53 1.161 -9.923 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.279 -11.188 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.841 -10.232 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 53 3.718 -8.160 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.331 -8.361 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.897 -8.870 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.969 -10.092 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.624 -8.731 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.278 -10.462 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.823 -9.476 -2.596 1.00 0.00 H new ATOM 861 N LEU A 54 2.007 -8.379 -5.250 1.00 0.00 N ATOM 862 CA LEU A 54 1.978 -7.086 -5.928 1.00 0.00 C ATOM 863 C LEU A 54 0.557 -6.516 -5.918 1.00 0.00 C ATOM 864 O LEU A 54 0.345 -5.323 -5.666 1.00 0.00 O ATOM 865 CB LEU A 54 2.462 -7.256 -7.373 1.00 0.00 C ATOM 866 CG LEU A 54 3.993 -7.393 -7.405 1.00 0.00 C ATOM 867 CD1 LEU A 54 4.423 -7.917 -8.781 1.00 0.00 C ATOM 868 CD2 LEU A 54 4.672 -6.035 -7.135 1.00 0.00 C ATOM 0 H LEU A 54 2.285 -9.163 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 54 2.636 -6.393 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.001 -8.138 -7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.153 -6.399 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 54 4.299 -8.091 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.508 -8.016 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.965 -8.890 -8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.102 -7.218 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.755 -6.158 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.368 -5.318 -7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.374 -5.668 -6.153 1.00 0.00 H new ATOM 880 N ASP A 55 -0.411 -7.373 -6.180 1.00 0.00 N ATOM 881 CA ASP A 55 -1.801 -6.944 -6.185 1.00 0.00 C ATOM 882 C ASP A 55 -2.289 -6.677 -4.762 1.00 0.00 C ATOM 883 O ASP A 55 -3.039 -5.729 -4.520 1.00 0.00 O ATOM 884 CB ASP A 55 -2.673 -8.011 -6.844 1.00 0.00 C ATOM 885 CG ASP A 55 -4.131 -7.570 -6.827 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.438 -6.589 -7.484 1.00 0.00 O ATOM 887 OD2 ASP A 55 -4.916 -8.215 -6.153 1.00 0.00 O ATOM 0 H ASP A 55 -0.266 -8.360 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.875 -6.018 -6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.346 -8.178 -7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.564 -8.959 -6.317 1.00 0.00 H new ATOM 892 N VAL A 56 -1.869 -7.528 -3.825 1.00 0.00 N ATOM 893 CA VAL A 56 -2.282 -7.384 -2.431 1.00 0.00 C ATOM 894 C VAL A 56 -1.647 -6.150 -1.797 1.00 0.00 C ATOM 895 O VAL A 56 -2.338 -5.313 -1.218 1.00 0.00 O ATOM 896 CB VAL A 56 -1.879 -8.635 -1.641 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.081 -8.394 -0.140 1.00 0.00 C ATOM 898 CG2 VAL A 56 -2.742 -9.819 -2.084 1.00 0.00 C ATOM 0 H VAL A 56 -1.248 -8.317 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.365 -7.265 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.828 -8.854 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.793 -9.287 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.465 -7.554 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.130 -8.169 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.456 -10.708 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.792 -9.594 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.594 -9.999 -3.149 1.00 0.00 H new ATOM 908 N VAL A 57 -0.328 -6.056 -1.892 1.00 0.00 N ATOM 909 CA VAL A 57 0.386 -4.933 -1.301 1.00 0.00 C ATOM 910 C VAL A 57 -0.180 -3.632 -1.845 1.00 0.00 C ATOM 911 O VAL A 57 -0.424 -2.690 -1.092 1.00 0.00 O ATOM 912 CB VAL A 57 1.884 -5.030 -1.628 1.00 0.00 C ATOM 913 CG1 VAL A 57 2.108 -4.749 -3.114 1.00 0.00 C ATOM 914 CG2 VAL A 57 2.665 -4.008 -0.796 1.00 0.00 C ATOM 0 H VAL A 57 0.265 -6.736 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 57 0.262 -4.957 -0.218 1.00 0.00 H new ATOM 0 HB VAL A 57 2.234 -6.035 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.172 -4.819 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.561 -5.480 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.751 -3.747 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.727 -4.082 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.311 -3.004 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.514 -4.211 0.264 1.00 0.00 H new ATOM 924 N LEU A 58 -0.395 -3.584 -3.156 1.00 0.00 N ATOM 925 CA LEU A 58 -0.942 -2.378 -3.755 1.00 0.00 C ATOM 926 C LEU A 58 -2.330 -2.094 -3.192 1.00 0.00 C ATOM 927 O LEU A 58 -2.609 -0.986 -2.730 1.00 0.00 O ATOM 928 CB LEU A 58 -1.024 -2.549 -5.275 1.00 0.00 C ATOM 929 CG LEU A 58 -1.614 -1.288 -5.922 1.00 0.00 C ATOM 930 CD1 LEU A 58 -0.738 -0.067 -5.600 1.00 0.00 C ATOM 931 CD2 LEU A 58 -1.688 -1.495 -7.441 1.00 0.00 C ATOM 0 H LEU A 58 -0.204 -4.346 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.288 -1.538 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.031 -2.743 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.642 -3.414 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.614 -1.109 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.167 0.821 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.693 0.074 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.268 -0.229 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.106 -0.604 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.687 -1.675 -7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.324 -2.353 -7.661 1.00 0.00 H new ATOM 943 N ASP A 59 -3.195 -3.099 -3.242 1.00 0.00 N ATOM 944 CA ASP A 59 -4.556 -2.944 -2.747 1.00 0.00 C ATOM 945 C ASP A 59 -4.536 -2.442 -1.309 1.00 0.00 C ATOM 946 O ASP A 59 -5.302 -1.550 -0.945 1.00 0.00 O ATOM 947 CB ASP A 59 -5.297 -4.282 -2.815 1.00 0.00 C ATOM 948 CG ASP A 59 -6.731 -4.115 -2.325 1.00 0.00 C ATOM 949 OD1 ASP A 59 -7.055 -3.037 -1.852 1.00 0.00 O ATOM 950 OD2 ASP A 59 -7.486 -5.069 -2.429 1.00 0.00 O ATOM 0 H ASP A 59 -2.981 -4.023 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.074 -2.217 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.296 -4.655 -3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.781 -5.023 -2.205 1.00 0.00 H new ATOM 955 N ALA A 60 -3.651 -3.015 -0.502 1.00 0.00 N ATOM 956 CA ALA A 60 -3.532 -2.615 0.895 1.00 0.00 C ATOM 957 C ALA A 60 -3.171 -1.135 0.990 1.00 0.00 C ATOM 958 O ALA A 60 -3.717 -0.403 1.820 1.00 0.00 O ATOM 959 CB ALA A 60 -2.450 -3.450 1.587 1.00 0.00 C ATOM 0 H ALA A 60 -3.009 -3.754 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.489 -2.782 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.367 -3.145 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.718 -4.505 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.494 -3.294 1.086 1.00 0.00 H new ATOM 965 N VAL A 61 -2.256 -0.700 0.127 1.00 0.00 N ATOM 966 CA VAL A 61 -1.835 0.697 0.117 1.00 0.00 C ATOM 967 C VAL A 61 -3.009 1.599 -0.242 1.00 0.00 C ATOM 968 O VAL A 61 -3.195 2.650 0.361 1.00 0.00 O ATOM 969 CB VAL A 61 -0.698 0.904 -0.893 1.00 0.00 C ATOM 970 CG1 VAL A 61 -0.424 2.405 -1.072 1.00 0.00 C ATOM 971 CG2 VAL A 61 0.570 0.214 -0.380 1.00 0.00 C ATOM 0 H VAL A 61 -1.796 -1.289 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.477 0.956 1.114 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.988 0.475 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.384 2.544 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.324 2.898 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.137 2.839 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.379 0.360 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.854 0.643 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.380 -0.853 -0.259 1.00 0.00 H new ATOM 981 N GLU A 62 -3.784 1.190 -1.235 1.00 0.00 N ATOM 982 CA GLU A 62 -4.932 1.980 -1.665 1.00 0.00 C ATOM 983 C GLU A 62 -6.005 2.002 -0.581 1.00 0.00 C ATOM 984 O GLU A 62 -6.683 3.011 -0.388 1.00 0.00 O ATOM 985 CB GLU A 62 -5.515 1.396 -2.952 1.00 0.00 C ATOM 986 CG GLU A 62 -6.604 2.325 -3.490 1.00 0.00 C ATOM 987 CD GLU A 62 -7.141 1.785 -4.810 1.00 0.00 C ATOM 988 OE1 GLU A 62 -6.833 0.648 -5.133 1.00 0.00 O ATOM 989 OE2 GLU A 62 -7.854 2.513 -5.480 1.00 0.00 O ATOM 0 H GLU A 62 -3.643 0.324 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.598 3.001 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.728 1.272 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.930 0.407 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.414 2.409 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.201 3.327 -3.634 1.00 0.00 H new ATOM 996 N SER A 63 -6.161 0.878 0.116 1.00 0.00 N ATOM 997 CA SER A 63 -7.166 0.782 1.171 1.00 0.00 C ATOM 998 C SER A 63 -6.866 1.764 2.296 1.00 0.00 C ATOM 999 O SER A 63 -7.729 2.543 2.698 1.00 0.00 O ATOM 1000 CB SER A 63 -7.188 -0.639 1.732 1.00 0.00 C ATOM 1001 OG SER A 63 -8.189 -0.732 2.735 1.00 0.00 O ATOM 0 H SER A 63 -5.611 0.031 -0.028 1.00 0.00 H new ATOM 0 HA SER A 63 -8.138 1.027 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.389 -1.354 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.214 -0.893 2.150 1.00 0.00 H new ATOM 0 HG SER A 63 -8.207 -1.643 3.096 1.00 0.00 H new ATOM 1007 N THR A 64 -5.643 1.721 2.808 1.00 0.00 N ATOM 1008 CA THR A 64 -5.251 2.616 3.890 1.00 0.00 C ATOM 1009 C THR A 64 -5.031 4.030 3.362 1.00 0.00 C ATOM 1010 O THR A 64 -5.357 5.013 4.027 1.00 0.00 O ATOM 1011 CB THR A 64 -3.972 2.109 4.555 1.00 0.00 C ATOM 1012 OG1 THR A 64 -3.673 2.919 5.682 1.00 0.00 O ATOM 1013 CG2 THR A 64 -2.815 2.171 3.556 1.00 0.00 C ATOM 0 H THR A 64 -4.911 1.083 2.496 1.00 0.00 H new ATOM 0 HA THR A 64 -6.054 2.637 4.627 1.00 0.00 H new ATOM 0 HB THR A 64 -4.114 1.077 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.664 2.365 6.490 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.904 1.809 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.046 1.547 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.670 3.201 3.231 1.00 0.00 H new ATOM 1021 N LEU A 65 -4.457 4.121 2.163 1.00 0.00 N ATOM 1022 CA LEU A 65 -4.170 5.413 1.544 1.00 0.00 C ATOM 1023 C LEU A 65 -5.321 5.853 0.642 1.00 0.00 C ATOM 1024 O LEU A 65 -5.109 6.504 -0.383 1.00 0.00 O ATOM 1025 CB LEU A 65 -2.875 5.323 0.724 1.00 0.00 C ATOM 1026 CG LEU A 65 -2.257 6.728 0.567 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -1.674 7.222 1.911 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -1.154 6.678 -0.499 1.00 0.00 C ATOM 0 H LEU A 65 -4.182 3.315 1.602 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.049 6.152 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.167 4.657 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.084 4.896 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.035 7.426 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.243 8.214 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.468 7.268 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.900 6.532 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.714 7.669 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.383 5.972 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.581 6.358 -1.450 1.00 0.00 H new ATOM 1040 N SER A 66 -6.540 5.506 1.036 1.00 0.00 N ATOM 1041 CA SER A 66 -7.716 5.885 0.267 1.00 0.00 C ATOM 1042 C SER A 66 -8.064 7.355 0.514 1.00 0.00 C ATOM 1043 O SER A 66 -8.330 8.106 -0.425 1.00 0.00 O ATOM 1044 CB SER A 66 -8.902 4.979 0.650 1.00 0.00 C ATOM 1045 OG SER A 66 -9.339 4.275 -0.504 1.00 0.00 O ATOM 0 H SER A 66 -6.738 4.966 1.878 1.00 0.00 H new ATOM 0 HA SER A 66 -7.502 5.758 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.603 4.277 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.717 5.578 1.057 1.00 0.00 H new ATOM 0 HG SER A 66 -8.642 3.648 -0.788 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.086 7.771 1.760 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.433 9.172 2.129 1.00 0.00 C ATOM 1053 C PRO A 67 -7.242 10.117 1.998 1.00 0.00 C ATOM 1054 O PRO A 67 -6.617 10.482 2.991 1.00 0.00 O ATOM 1055 CB PRO A 67 -8.898 9.044 3.587 1.00 0.00 C ATOM 1056 CG PRO A 67 -8.162 7.858 4.142 1.00 0.00 C ATOM 1057 CD PRO A 67 -7.776 6.960 2.950 1.00 0.00 C ATOM 0 HA PRO A 67 -9.190 9.603 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.669 9.947 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.977 8.898 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.273 8.177 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.789 7.312 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.720 6.690 2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.343 6.029 2.954 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.938 10.518 0.761 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.821 11.430 0.504 1.00 0.00 C ATOM 1067 C CYS A 68 -6.250 12.538 -0.453 1.00 0.00 C ATOM 1068 O CYS A 68 -5.600 13.578 -0.547 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.639 10.648 -0.079 1.00 0.00 C ATOM 1070 SG CYS A 68 -3.791 9.781 1.265 1.00 0.00 S ATOM 0 H CYS A 68 -7.447 10.227 -0.074 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.513 11.889 1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.990 9.935 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.951 11.326 -0.584 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.534 9.801 2.332 1.00 0.00 H new ATOM 1076 N LYS A 69 -7.352 12.306 -1.159 1.00 0.00 N ATOM 1077 CA LYS A 69 -7.862 13.290 -2.106 1.00 0.00 C ATOM 1078 C LYS A 69 -8.376 14.526 -1.374 1.00 0.00 C ATOM 1079 O LYS A 69 -8.727 15.528 -1.998 1.00 0.00 O ATOM 1080 CB LYS A 69 -8.984 12.673 -2.943 1.00 0.00 C ATOM 1081 CG LYS A 69 -10.152 12.287 -2.035 1.00 0.00 C ATOM 1082 CD LYS A 69 -11.218 11.560 -2.855 1.00 0.00 C ATOM 1083 CE LYS A 69 -12.382 11.167 -1.943 1.00 0.00 C ATOM 1084 NZ LYS A 69 -13.425 10.468 -2.742 1.00 0.00 N ATOM 0 H LYS A 69 -7.905 11.452 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.048 13.593 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.318 13.382 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.615 11.794 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.801 11.646 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.578 13.178 -1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.574 12.203 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.791 10.672 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.027 10.519 -1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.804 12.054 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.216 10.201 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.771 11.101 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.018 9.613 -3.172 1.00 0.00 H new ATOM 1098 N GLU A 70 -8.422 14.446 -0.048 1.00 0.00 N ATOM 1099 CA GLU A 70 -8.902 15.564 0.755 1.00 0.00 C ATOM 1100 C GLU A 70 -7.871 16.688 0.785 1.00 0.00 C ATOM 1101 O GLU A 70 -8.223 17.865 0.730 1.00 0.00 O ATOM 1102 CB GLU A 70 -9.186 15.095 2.183 1.00 0.00 C ATOM 1103 CG GLU A 70 -10.384 14.145 2.179 1.00 0.00 C ATOM 1104 CD GLU A 70 -10.617 13.597 3.583 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -9.837 13.921 4.463 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -11.576 12.861 3.758 1.00 0.00 O ATOM 0 H GLU A 70 -8.136 13.627 0.489 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.820 15.941 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.310 14.591 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.390 15.952 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.274 14.670 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.206 13.324 1.484 1.00 0.00 H new ATOM 1113 N HIS A 71 -6.595 16.316 0.866 1.00 0.00 N ATOM 1114 CA HIS A 71 -5.513 17.299 0.895 1.00 0.00 C ATOM 1115 C HIS A 71 -4.853 17.396 -0.474 1.00 0.00 C ATOM 1116 O HIS A 71 -4.163 16.475 -0.907 1.00 0.00 O ATOM 1117 CB HIS A 71 -4.475 16.889 1.937 1.00 0.00 C ATOM 1118 CG HIS A 71 -5.058 17.040 3.314 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -5.157 18.272 3.943 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -5.582 16.128 4.197 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -5.719 18.068 5.149 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -5.998 16.779 5.352 1.00 0.00 N ATOM 0 H HIS A 71 -6.285 15.345 0.913 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.927 18.273 1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -4.167 15.856 1.772 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.582 17.507 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.659 15.065 4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.920 18.852 5.865 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.425 16.361 6.178 1.00 0.00 H new ATOM 1130 N ASP A 72 -5.068 18.519 -1.149 1.00 0.00 N ATOM 1131 CA ASP A 72 -4.492 18.725 -2.471 1.00 0.00 C ATOM 1132 C ASP A 72 -2.971 18.802 -2.391 1.00 0.00 C ATOM 1133 O ASP A 72 -2.272 18.325 -3.284 1.00 0.00 O ATOM 1134 CB ASP A 72 -5.035 20.019 -3.081 1.00 0.00 C ATOM 1135 CG ASP A 72 -4.726 21.195 -2.162 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -4.457 20.957 -0.997 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -4.758 22.318 -2.640 1.00 0.00 O ATOM 0 H ASP A 72 -5.633 19.296 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.769 17.879 -3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.588 20.185 -4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.111 19.937 -3.231 1.00 0.00 H new ATOM 1142 N VAL A 73 -2.464 19.405 -1.321 1.00 0.00 N ATOM 1143 CA VAL A 73 -1.022 19.535 -1.150 1.00 0.00 C ATOM 1144 C VAL A 73 -0.393 18.190 -0.800 1.00 0.00 C ATOM 1145 O VAL A 73 0.499 17.712 -1.501 1.00 0.00 O ATOM 1146 CB VAL A 73 -0.727 20.533 -0.028 1.00 0.00 C ATOM 1147 CG1 VAL A 73 0.785 20.619 0.197 1.00 0.00 C ATOM 1148 CG2 VAL A 73 -1.259 21.912 -0.417 1.00 0.00 C ATOM 0 H VAL A 73 -3.022 19.807 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.596 19.889 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.214 20.199 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.994 21.330 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.168 19.637 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.271 20.951 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.048 22.622 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.773 22.244 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.336 21.855 -0.577 1.00 0.00 H new ATOM 1158 N ILE A 74 -0.862 17.588 0.290 1.00 0.00 N ATOM 1159 CA ILE A 74 -0.330 16.301 0.716 1.00 0.00 C ATOM 1160 C ILE A 74 -0.722 15.200 -0.256 1.00 0.00 C ATOM 1161 O ILE A 74 0.107 14.367 -0.596 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.832 15.953 2.111 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -0.383 17.042 3.085 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -0.247 14.606 2.545 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -1.111 16.861 4.414 1.00 0.00 C ATOM 0 H ILE A 74 -1.599 17.966 0.886 1.00 0.00 H new ATOM 0 HA ILE A 74 0.757 16.380 0.734 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.920 15.887 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.695 16.988 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.597 18.027 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.607 14.358 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.558 13.831 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.841 14.669 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.793 17.636 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.186 16.936 4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.874 15.881 4.828 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.000 15.196 -0.661 1.00 0.00 N ATOM 1178 CA GLY A 75 -2.529 14.178 -1.582 1.00 0.00 C ATOM 1179 C GLY A 75 -1.560 13.904 -2.731 1.00 0.00 C ATOM 1180 O GLY A 75 -0.378 13.680 -2.525 1.00 0.00 O ATOM 0 H GLY A 75 -2.688 15.888 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.717 13.254 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.486 14.511 -1.983 1.00 0.00 H new ATOM 1184 N THR A 76 -2.070 13.910 -3.954 1.00 0.00 N ATOM 1185 CA THR A 76 -1.224 13.662 -5.120 1.00 0.00 C ATOM 1186 C THR A 76 -0.862 12.181 -5.214 1.00 0.00 C ATOM 1187 O THR A 76 -0.771 11.609 -6.308 1.00 0.00 O ATOM 1188 CB THR A 76 0.063 14.512 -5.021 1.00 0.00 C ATOM 1189 OG1 THR A 76 -0.237 15.756 -4.395 1.00 0.00 O ATOM 1190 CG2 THR A 76 0.625 14.767 -6.417 1.00 0.00 C ATOM 0 H THR A 76 -3.053 14.081 -4.167 1.00 0.00 H new ATOM 0 HA THR A 76 -1.775 13.942 -6.018 1.00 0.00 H new ATOM 0 HB THR A 76 0.804 13.974 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.579 16.295 -4.330 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.532 15.367 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.858 13.815 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.114 15.301 -7.015 1.00 0.00 H new ATOM 1198 N LYS A 77 -0.665 11.570 -4.056 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.319 10.160 -3.992 1.00 0.00 C ATOM 1200 C LYS A 77 -1.403 9.330 -4.673 1.00 0.00 C ATOM 1201 O LYS A 77 -1.129 8.255 -5.211 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.152 9.708 -2.519 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.532 10.839 -1.562 1.00 0.00 C ATOM 1204 CD LYS A 77 -0.581 10.302 -0.138 1.00 0.00 C ATOM 1205 CE LYS A 77 -0.671 11.477 0.835 1.00 0.00 C ATOM 1206 NZ LYS A 77 0.606 12.247 0.791 1.00 0.00 N ATOM 0 H LYS A 77 -0.739 12.029 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 77 0.628 10.008 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.778 8.837 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.880 9.405 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.194 11.649 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.501 11.255 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.441 9.644 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.309 9.708 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.508 12.122 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.857 11.114 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.982 12.350 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.297 11.740 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.430 13.188 0.385 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.627 9.834 -4.637 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.737 9.119 -5.247 1.00 0.00 C ATOM 1222 C VAL A 78 -3.514 8.974 -6.752 1.00 0.00 C ATOM 1223 O VAL A 78 -3.638 7.880 -7.312 1.00 0.00 O ATOM 1224 CB VAL A 78 -5.040 9.879 -4.990 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -6.193 9.188 -5.720 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.330 9.907 -3.487 1.00 0.00 C ATOM 0 H VAL A 78 -2.875 10.721 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.801 8.125 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.939 10.900 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.119 9.732 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.989 9.173 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.294 8.166 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.258 10.449 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.427 8.887 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.512 10.406 -2.968 1.00 0.00 H new ATOM 1236 N CYS A 79 -3.171 10.085 -7.397 1.00 0.00 N ATOM 1237 CA CYS A 79 -2.924 10.073 -8.831 1.00 0.00 C ATOM 1238 C CYS A 79 -1.734 9.181 -9.149 1.00 0.00 C ATOM 1239 O CYS A 79 -1.727 8.474 -10.157 1.00 0.00 O ATOM 1240 CB CYS A 79 -2.652 11.494 -9.332 1.00 0.00 C ATOM 1241 SG CYS A 79 -4.145 12.501 -9.139 1.00 0.00 S ATOM 0 H CYS A 79 -3.059 10.996 -6.952 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.808 9.682 -9.334 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.828 11.936 -8.773 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.350 11.470 -10.379 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.912 13.708 -9.563 1.00 0.00 H new ATOM 1247 N ALA A 80 -0.730 9.211 -8.277 1.00 0.00 N ATOM 1248 CA ALA A 80 0.457 8.390 -8.481 1.00 0.00 C ATOM 1249 C ALA A 80 0.082 6.910 -8.515 1.00 0.00 C ATOM 1250 O ALA A 80 0.548 6.157 -9.372 1.00 0.00 O ATOM 1251 CB ALA A 80 1.461 8.635 -7.355 1.00 0.00 C ATOM 0 H ALA A 80 -0.714 9.786 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 80 0.907 8.664 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.345 8.018 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.749 9.686 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.006 8.376 -6.399 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.763 6.500 -7.578 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.190 5.110 -7.511 1.00 0.00 C ATOM 1259 C LEU A 81 -1.945 4.722 -8.774 1.00 0.00 C ATOM 1260 O LEU A 81 -1.722 3.648 -9.342 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.084 4.906 -6.285 1.00 0.00 C ATOM 1262 CG LEU A 81 -2.555 3.429 -6.203 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.459 2.924 -4.757 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -4.012 3.304 -6.679 1.00 0.00 C ATOM 0 H LEU A 81 -1.163 7.104 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.308 4.475 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.538 5.172 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.948 5.568 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.911 2.829 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.792 1.887 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.425 2.989 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.091 3.537 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.327 2.263 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.655 3.917 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.088 3.644 -7.712 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.825 5.608 -9.219 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.594 5.352 -10.427 1.00 0.00 C ATOM 1278 C LEU A 82 -2.656 5.246 -11.623 1.00 0.00 C ATOM 1279 O LEU A 82 -2.870 4.431 -12.515 1.00 0.00 O ATOM 1280 CB LEU A 82 -4.633 6.467 -10.655 1.00 0.00 C ATOM 1281 CG LEU A 82 -5.955 6.143 -9.937 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.799 6.339 -8.428 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -7.051 7.076 -10.458 1.00 0.00 C ATOM 0 H LEU A 82 -3.022 6.501 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.128 4.409 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.240 7.416 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.815 6.587 -11.723 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.223 5.105 -10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.741 6.107 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.019 5.676 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.526 7.374 -8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.990 6.851 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.772 8.111 -10.261 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.172 6.931 -11.531 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.624 6.074 -11.639 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.671 6.052 -12.736 1.00 0.00 C ATOM 1297 C ASP A 83 0.038 4.703 -12.793 1.00 0.00 C ATOM 1298 O ASP A 83 0.242 4.144 -13.869 1.00 0.00 O ATOM 1299 CB ASP A 83 0.355 7.167 -12.549 1.00 0.00 C ATOM 1300 CG ASP A 83 -0.298 8.521 -12.800 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -1.372 8.542 -13.375 1.00 0.00 O ATOM 1302 OD2 ASP A 83 0.285 9.517 -12.408 1.00 0.00 O ATOM 0 H ASP A 83 -1.426 6.763 -10.913 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.207 6.207 -13.672 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.763 7.132 -11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.190 7.023 -13.235 1.00 0.00 H new ATOM 1307 N ARG A 84 0.413 4.185 -11.626 1.00 0.00 N ATOM 1308 CA ARG A 84 1.096 2.901 -11.573 1.00 0.00 C ATOM 1309 C ARG A 84 0.209 1.788 -12.114 1.00 0.00 C ATOM 1310 O ARG A 84 0.644 0.980 -12.937 1.00 0.00 O ATOM 1311 CB ARG A 84 1.504 2.571 -10.136 1.00 0.00 C ATOM 1312 CG ARG A 84 2.671 3.466 -9.716 1.00 0.00 C ATOM 1313 CD ARG A 84 3.125 3.089 -8.304 1.00 0.00 C ATOM 1314 NE ARG A 84 2.155 3.545 -7.309 1.00 0.00 N ATOM 1315 CZ ARG A 84 2.233 4.766 -6.775 1.00 0.00 C ATOM 1316 NH1 ARG A 84 3.190 5.576 -7.138 1.00 0.00 N ATOM 1317 NH2 ARG A 84 1.358 5.149 -5.888 1.00 0.00 N ATOM 0 H ARG A 84 0.258 4.628 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 84 1.988 2.974 -12.195 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.659 2.719 -9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.791 1.522 -10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.498 3.355 -10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.368 4.513 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.246 2.008 -8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.099 3.533 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 84 1.405 2.918 -7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.877 5.276 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.250 6.509 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.612 4.515 -5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.419 6.082 -5.481 1.00 0.00 H new ATOM 1331 N LEU A 85 -1.029 1.750 -11.650 1.00 0.00 N ATOM 1332 CA LEU A 85 -1.964 0.728 -12.097 1.00 0.00 C ATOM 1333 C LEU A 85 -2.372 0.977 -13.551 1.00 0.00 C ATOM 1334 O LEU A 85 -2.699 0.049 -14.288 1.00 0.00 O ATOM 1335 CB LEU A 85 -3.201 0.714 -11.178 1.00 0.00 C ATOM 1336 CG LEU A 85 -3.710 -0.725 -10.990 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -4.935 -0.717 -10.072 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.076 -1.337 -12.348 1.00 0.00 C ATOM 0 H LEU A 85 -1.409 2.408 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.478 -0.246 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.948 1.147 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.989 1.332 -11.608 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.923 -1.328 -10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.296 -1.737 -9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.661 -0.299 -9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.721 -0.109 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.435 -2.356 -12.203 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.858 -0.740 -12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.195 -1.351 -12.990 1.00 0.00 H new ATOM 1350 N ALA A 86 -2.376 2.245 -13.946 1.00 0.00 N ATOM 1351 CA ALA A 86 -2.775 2.615 -15.299 1.00 0.00 C ATOM 1352 C ALA A 86 -1.901 1.922 -16.334 1.00 0.00 C ATOM 1353 O ALA A 86 -2.406 1.356 -17.302 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.664 4.129 -15.475 1.00 0.00 C ATOM 0 H ALA A 86 -2.109 3.030 -13.352 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.808 2.299 -15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.963 4.401 -16.487 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.316 4.627 -14.758 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.633 4.440 -15.305 1.00 0.00 H new ATOM 1360 N GLY A 87 -0.591 1.962 -16.126 1.00 0.00 N ATOM 1361 CA GLY A 87 0.328 1.328 -17.059 1.00 0.00 C ATOM 1362 C GLY A 87 1.699 1.119 -16.430 1.00 0.00 C ATOM 1363 O GLY A 87 2.244 0.017 -16.477 1.00 0.00 O ATOM 0 H GLY A 87 -0.147 2.420 -15.331 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.078 0.368 -17.377 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.426 1.945 -17.952 1.00 0.00 H new ATOM 1367 N ASP A 88 2.253 2.183 -15.845 1.00 0.00 N ATOM 1368 CA ASP A 88 3.571 2.111 -15.212 1.00 0.00 C ATOM 1369 C ASP A 88 3.735 0.777 -14.480 1.00 0.00 C ATOM 1370 O ASP A 88 4.456 -0.107 -14.946 1.00 0.00 O ATOM 1371 CB ASP A 88 3.741 3.292 -14.223 1.00 0.00 C ATOM 1372 CG ASP A 88 4.809 4.274 -14.705 1.00 0.00 C ATOM 1373 OD1 ASP A 88 4.694 4.738 -15.827 1.00 0.00 O ATOM 1374 OD2 ASP A 88 5.725 4.543 -13.943 1.00 0.00 O ATOM 0 H ASP A 88 1.811 3.101 -15.797 1.00 0.00 H new ATOM 0 HA ASP A 88 4.340 2.179 -15.982 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.790 3.813 -14.109 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.014 2.909 -13.240 1.00 0.00 H new ATOM 1379 N TYR A 89 3.060 0.640 -13.344 1.00 0.00 N ATOM 1380 CA TYR A 89 3.136 -0.586 -12.567 1.00 0.00 C ATOM 1381 C TYR A 89 4.553 -0.794 -12.045 1.00 0.00 C ATOM 1382 O TYR A 89 5.495 -0.141 -12.500 1.00 0.00 O ATOM 1383 CB TYR A 89 2.717 -1.773 -13.436 1.00 0.00 C ATOM 1384 CG TYR A 89 2.365 -2.950 -12.561 1.00 0.00 C ATOM 1385 CD1 TYR A 89 1.088 -3.038 -11.999 1.00 0.00 C ATOM 1386 CD2 TYR A 89 3.311 -3.951 -12.316 1.00 0.00 C ATOM 1387 CE1 TYR A 89 0.755 -4.127 -11.191 1.00 0.00 C ATOM 1388 CE2 TYR A 89 2.978 -5.042 -11.504 1.00 0.00 C ATOM 1389 CZ TYR A 89 1.698 -5.129 -10.943 1.00 0.00 C ATOM 1390 OH TYR A 89 1.368 -6.204 -10.146 1.00 0.00 O ATOM 0 H TYR A 89 2.458 1.360 -12.945 1.00 0.00 H new ATOM 0 HA TYR A 89 2.460 -0.509 -11.715 1.00 0.00 H new ATOM 0 HB2 TYR A 89 1.862 -1.499 -14.053 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.527 -2.042 -14.114 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.359 -2.264 -12.190 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.297 -3.882 -12.752 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.232 -4.195 -10.757 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.707 -5.815 -11.311 1.00 0.00 H new ATOM 0 HH TYR A 89 2.031 -6.916 -10.265 1.00 0.00 H new ATOM 1400 N VAL A 90 4.696 -1.700 -11.083 1.00 0.00 N ATOM 1401 CA VAL A 90 5.998 -1.989 -10.483 1.00 0.00 C ATOM 1402 C VAL A 90 6.297 -3.477 -10.583 1.00 0.00 C ATOM 1403 O VAL A 90 5.389 -4.298 -10.699 1.00 0.00 O ATOM 1404 CB VAL A 90 6.000 -1.566 -9.007 1.00 0.00 C ATOM 1405 CG1 VAL A 90 4.780 -2.158 -8.299 1.00 0.00 C ATOM 1406 CG2 VAL A 90 7.278 -2.070 -8.328 1.00 0.00 C ATOM 0 H VAL A 90 3.926 -2.249 -10.700 1.00 0.00 H new ATOM 0 HA VAL A 90 6.764 -1.430 -11.020 1.00 0.00 H new ATOM 0 HB VAL A 90 5.961 -0.478 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.785 -1.856 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.870 -1.795 -8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.814 -3.246 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.277 -1.768 -7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.320 -3.157 -8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.148 -1.643 -8.827 1.00 0.00 H new ATOM 1416 N TYR A 91 7.586 -3.817 -10.539 1.00 0.00 N ATOM 1417 CA TYR A 91 8.012 -5.211 -10.624 1.00 0.00 C ATOM 1418 C TYR A 91 8.831 -5.581 -9.401 1.00 0.00 C ATOM 1419 O TYR A 91 9.671 -4.802 -8.941 1.00 0.00 O ATOM 1420 CB TYR A 91 8.857 -5.420 -11.880 1.00 0.00 C ATOM 1421 CG TYR A 91 8.219 -4.703 -13.047 1.00 0.00 C ATOM 1422 CD1 TYR A 91 6.896 -4.994 -13.407 1.00 0.00 C ATOM 1423 CD2 TYR A 91 8.944 -3.742 -13.765 1.00 0.00 C ATOM 1424 CE1 TYR A 91 6.302 -4.327 -14.484 1.00 0.00 C ATOM 1425 CE2 TYR A 91 8.347 -3.076 -14.841 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.026 -3.369 -15.200 1.00 0.00 C ATOM 1427 OH TYR A 91 6.438 -2.709 -16.262 1.00 0.00 O ATOM 0 H TYR A 91 8.350 -3.147 -10.445 1.00 0.00 H new ATOM 0 HA TYR A 91 7.127 -5.846 -10.671 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.867 -5.044 -11.717 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.945 -6.484 -12.098 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.335 -5.733 -12.853 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.963 -3.516 -13.488 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.283 -4.552 -14.763 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.905 -2.336 -15.395 1.00 0.00 H new ATOM 0 HH TYR A 91 7.078 -2.076 -16.649 1.00 0.00 H new ATOM 1437 N LEU A 92 8.587 -6.776 -8.877 1.00 0.00 N ATOM 1438 CA LEU A 92 9.304 -7.262 -7.705 1.00 0.00 C ATOM 1439 C LEU A 92 10.265 -8.373 -8.088 1.00 0.00 C ATOM 1440 O LEU A 92 9.883 -9.343 -8.744 1.00 0.00 O ATOM 1441 CB LEU A 92 8.307 -7.784 -6.663 1.00 0.00 C ATOM 1442 CG LEU A 92 9.058 -8.237 -5.379 1.00 0.00 C ATOM 1443 CD1 LEU A 92 8.274 -7.798 -4.135 1.00 0.00 C ATOM 1444 CD2 LEU A 92 9.220 -9.772 -5.364 1.00 0.00 C ATOM 0 H LEU A 92 7.896 -7.428 -9.247 1.00 0.00 H new ATOM 0 HA LEU A 92 9.874 -6.435 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.587 -7.004 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.742 -8.620 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 92 10.045 -7.774 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.805 -8.118 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.176 -6.712 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.283 -8.251 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.748 -10.073 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.237 -10.242 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.790 -10.086 -6.238 1.00 0.00 H new ATOM 1456 N PHE A 93 11.518 -8.228 -7.667 1.00 0.00 N ATOM 1457 CA PHE A 93 12.547 -9.226 -7.959 1.00 0.00 C ATOM 1458 C PHE A 93 13.319 -9.594 -6.695 1.00 0.00 C ATOM 1459 O PHE A 93 13.408 -8.807 -5.760 1.00 0.00 O ATOM 1460 CB PHE A 93 13.511 -8.694 -9.021 1.00 0.00 C ATOM 1461 CG PHE A 93 12.831 -8.705 -10.370 1.00 0.00 C ATOM 1462 CD1 PHE A 93 12.732 -9.906 -11.086 1.00 0.00 C ATOM 1463 CD2 PHE A 93 12.304 -7.526 -10.906 1.00 0.00 C ATOM 1464 CE1 PHE A 93 12.108 -9.926 -12.337 1.00 0.00 C ATOM 1465 CE2 PHE A 93 11.678 -7.548 -12.161 1.00 0.00 C ATOM 1466 CZ PHE A 93 11.581 -8.748 -12.874 1.00 0.00 C ATOM 0 H PHE A 93 11.847 -7.430 -7.123 1.00 0.00 H new ATOM 0 HA PHE A 93 12.056 -10.122 -8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.824 -7.681 -8.768 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.411 -9.308 -9.051 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.138 -10.817 -10.671 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.379 -6.600 -10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 93 12.033 -10.852 -12.888 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.271 -6.638 -12.577 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.099 -8.764 -13.840 1.00 0.00 H new ATOM 1476 N ASP A 94 13.875 -10.803 -6.677 1.00 0.00 N ATOM 1477 CA ASP A 94 14.637 -11.265 -5.524 1.00 0.00 C ATOM 1478 C ASP A 94 15.988 -10.566 -5.466 1.00 0.00 C ATOM 1479 O ASP A 94 16.327 -9.776 -6.348 1.00 0.00 O ATOM 1480 CB ASP A 94 14.844 -12.777 -5.610 1.00 0.00 C ATOM 1481 CG ASP A 94 15.457 -13.296 -4.315 1.00 0.00 C ATOM 1482 OD1 ASP A 94 15.311 -12.631 -3.304 1.00 0.00 O ATOM 1483 OD2 ASP A 94 16.065 -14.355 -4.353 1.00 0.00 O ATOM 0 H ASP A 94 13.812 -11.475 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 94 14.078 -11.027 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.891 -13.272 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.495 -13.016 -6.451 1.00 0.00 H new ATOM 1488 N GLU A 95 16.754 -10.853 -4.421 1.00 0.00 N ATOM 1489 CA GLU A 95 18.065 -10.235 -4.256 1.00 0.00 C ATOM 1490 C GLU A 95 18.977 -10.596 -5.423 1.00 0.00 C ATOM 1491 O GLU A 95 19.700 -9.745 -5.942 1.00 0.00 O ATOM 1492 CB GLU A 95 18.699 -10.707 -2.942 1.00 0.00 C ATOM 1493 CG GLU A 95 19.844 -9.769 -2.545 1.00 0.00 C ATOM 1494 CD GLU A 95 21.007 -9.922 -3.521 1.00 0.00 C ATOM 1495 OE1 GLU A 95 21.197 -11.019 -4.017 1.00 0.00 O ATOM 1496 OE2 GLU A 95 21.685 -8.937 -3.764 1.00 0.00 O ATOM 0 H GLU A 95 16.494 -11.504 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 95 17.939 -9.153 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.947 -10.730 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.074 -11.724 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.495 -8.737 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.176 -9.996 -1.532 1.00 0.00 H new ATOM 1503 N GLY A 96 18.942 -11.860 -5.828 1.00 0.00 N ATOM 1504 CA GLY A 96 19.776 -12.317 -6.933 1.00 0.00 C ATOM 1505 C GLY A 96 19.214 -11.847 -8.269 1.00 0.00 C ATOM 1506 O GLY A 96 19.768 -12.142 -9.328 1.00 0.00 O ATOM 0 H GLY A 96 18.351 -12.580 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.791 -11.940 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.837 -13.405 -6.922 1.00 0.00 H new ATOM 1510 N GLY A 97 18.105 -11.114 -8.211 1.00 0.00 N ATOM 1511 CA GLY A 97 17.469 -10.604 -9.423 1.00 0.00 C ATOM 1512 C GLY A 97 16.515 -11.638 -10.009 1.00 0.00 C ATOM 1513 O GLY A 97 15.875 -11.394 -11.033 1.00 0.00 O ATOM 0 H GLY A 97 17.631 -10.861 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.924 -9.688 -9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.231 -10.347 -10.159 1.00 0.00 H new ATOM 1517 N ASP A 98 16.422 -12.795 -9.357 1.00 0.00 N ATOM 1518 CA ASP A 98 15.541 -13.862 -9.825 1.00 0.00 C ATOM 1519 C ASP A 98 14.151 -13.708 -9.222 1.00 0.00 C ATOM 1520 O ASP A 98 13.958 -13.933 -8.029 1.00 0.00 O ATOM 1521 CB ASP A 98 16.109 -15.223 -9.423 1.00 0.00 C ATOM 1522 CG ASP A 98 15.385 -16.332 -10.181 1.00 0.00 C ATOM 1523 OD1 ASP A 98 14.321 -16.062 -10.713 1.00 0.00 O ATOM 1524 OD2 ASP A 98 15.908 -17.433 -10.220 1.00 0.00 O ATOM 0 H ASP A 98 16.942 -13.017 -8.508 1.00 0.00 H new ATOM 0 HA ASP A 98 15.472 -13.797 -10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 98 17.177 -15.260 -9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.996 -15.371 -8.349 1.00 0.00 H new ATOM 1529 N GLU A 99 13.189 -13.323 -10.056 1.00 0.00 N ATOM 1530 CA GLU A 99 11.817 -13.145 -9.590 1.00 0.00 C ATOM 1531 C GLU A 99 11.382 -14.338 -8.747 1.00 0.00 C ATOM 1532 O GLU A 99 10.807 -15.298 -9.261 1.00 0.00 O ATOM 1533 CB GLU A 99 10.879 -12.981 -10.792 1.00 0.00 C ATOM 1534 CG GLU A 99 11.309 -13.935 -11.908 1.00 0.00 C ATOM 1535 CD GLU A 99 10.296 -13.902 -13.047 1.00 0.00 C ATOM 1536 OE1 GLU A 99 9.126 -13.703 -12.765 1.00 0.00 O ATOM 1537 OE2 GLU A 99 10.706 -14.078 -14.180 1.00 0.00 O ATOM 0 H GLU A 99 13.331 -13.130 -11.047 1.00 0.00 H new ATOM 0 HA GLU A 99 11.769 -12.248 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.851 -13.190 -10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.905 -11.951 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.294 -13.652 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.395 -14.949 -11.517 1.00 0.00 H new ATOM 1544 N VAL A 100 11.652 -14.268 -7.448 1.00 0.00 N ATOM 1545 CA VAL A 100 11.278 -15.342 -6.541 1.00 0.00 C ATOM 1546 C VAL A 100 11.064 -14.804 -5.128 1.00 0.00 C ATOM 1547 O VAL A 100 11.896 -14.068 -4.597 1.00 0.00 O ATOM 1548 CB VAL A 100 12.379 -16.409 -6.532 1.00 0.00 C ATOM 1549 CG1 VAL A 100 12.085 -17.449 -5.444 1.00 0.00 C ATOM 1550 CG2 VAL A 100 12.434 -17.110 -7.897 1.00 0.00 C ATOM 0 H VAL A 100 12.126 -13.482 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 100 10.343 -15.784 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 100 13.336 -15.928 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.870 -18.205 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.051 -16.958 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.125 -17.924 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.218 -17.867 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 100 11.474 -17.584 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.649 -16.377 -8.674 1.00 0.00 H new ATOM 1560 N ILE A 101 9.941 -15.182 -4.528 1.00 0.00 N ATOM 1561 CA ILE A 101 9.624 -14.730 -3.183 1.00 0.00 C ATOM 1562 C ILE A 101 10.693 -15.206 -2.216 1.00 0.00 C ATOM 1563 O ILE A 101 10.964 -16.403 -2.116 1.00 0.00 O ATOM 1564 CB ILE A 101 8.265 -15.281 -2.748 1.00 0.00 C ATOM 1565 CG1 ILE A 101 7.170 -14.692 -3.645 1.00 0.00 C ATOM 1566 CG2 ILE A 101 7.994 -14.892 -1.289 1.00 0.00 C ATOM 1567 CD1 ILE A 101 7.225 -15.312 -5.050 1.00 0.00 C ATOM 0 H ILE A 101 9.242 -15.795 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 101 9.587 -13.641 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 101 8.268 -16.367 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.192 -14.874 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.292 -13.611 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.025 -15.286 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.774 -15.308 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.990 -13.806 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.439 -14.880 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.196 -15.107 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.079 -16.390 -4.978 1.00 0.00 H new ATOM 1579 N ALA A 102 11.297 -14.265 -1.500 1.00 0.00 N ATOM 1580 CA ALA A 102 12.340 -14.615 -0.540 1.00 0.00 C ATOM 1581 C ALA A 102 12.413 -13.570 0.580 1.00 0.00 C ATOM 1582 O ALA A 102 11.789 -12.513 0.493 1.00 0.00 O ATOM 1583 CB ALA A 102 13.700 -14.729 -1.269 1.00 0.00 C ATOM 0 H ALA A 102 11.088 -13.269 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 102 12.099 -15.577 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 102 14.477 -14.990 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.639 -15.502 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.944 -13.775 -1.736 1.00 0.00 H new ATOM 1589 N PRO A 103 13.171 -13.848 1.613 1.00 0.00 N ATOM 1590 CA PRO A 103 13.337 -12.902 2.759 1.00 0.00 C ATOM 1591 C PRO A 103 13.732 -11.498 2.298 1.00 0.00 C ATOM 1592 O PRO A 103 13.225 -10.499 2.807 1.00 0.00 O ATOM 1593 CB PRO A 103 14.466 -13.538 3.589 1.00 0.00 C ATOM 1594 CG PRO A 103 14.429 -14.995 3.258 1.00 0.00 C ATOM 1595 CD PRO A 103 13.943 -15.091 1.810 1.00 0.00 C ATOM 0 HA PRO A 103 12.409 -12.767 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.433 -13.102 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.311 -13.373 4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.416 -15.444 3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.758 -15.530 3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.777 -15.158 1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.325 -15.975 1.654 1.00 0.00 H new ATOM 1603 N ARG A 104 14.646 -11.431 1.330 1.00 0.00 N ATOM 1604 CA ARG A 104 15.111 -10.147 0.804 1.00 0.00 C ATOM 1605 C ARG A 104 14.519 -9.898 -0.573 1.00 0.00 C ATOM 1606 O ARG A 104 14.979 -10.452 -1.572 1.00 0.00 O ATOM 1607 CB ARG A 104 16.643 -10.151 0.706 1.00 0.00 C ATOM 1608 CG ARG A 104 17.264 -10.445 2.082 1.00 0.00 C ATOM 1609 CD ARG A 104 17.330 -9.164 2.920 1.00 0.00 C ATOM 1610 NE ARG A 104 18.158 -8.174 2.243 1.00 0.00 N ATOM 1611 CZ ARG A 104 18.329 -6.961 2.750 1.00 0.00 C ATOM 1612 NH1 ARG A 104 17.750 -6.637 3.873 1.00 0.00 N ATOM 1613 NH2 ARG A 104 19.076 -6.093 2.125 1.00 0.00 N ATOM 0 H ARG A 104 15.078 -12.247 0.896 1.00 0.00 H new ATOM 0 HA ARG A 104 14.789 -9.355 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.966 -10.902 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.994 -9.186 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 104 16.672 -11.198 2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 104 18.265 -10.857 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.327 -8.768 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 104 17.742 -9.384 3.905 1.00 0.00 H new ATOM 0 HE ARG A 104 18.614 -8.419 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 104 17.166 -7.317 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.881 -5.704 4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.528 -6.348 1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 104 19.208 -5.160 2.514 1.00 0.00 H new ATOM 1627 N MET A 105 13.488 -9.059 -0.616 1.00 0.00 N ATOM 1628 CA MET A 105 12.825 -8.730 -1.871 1.00 0.00 C ATOM 1629 C MET A 105 13.226 -7.336 -2.331 1.00 0.00 C ATOM 1630 O MET A 105 13.462 -6.444 -1.518 1.00 0.00 O ATOM 1631 CB MET A 105 11.310 -8.779 -1.692 1.00 0.00 C ATOM 1632 CG MET A 105 10.892 -10.170 -1.217 1.00 0.00 C ATOM 1633 SD MET A 105 9.096 -10.345 -1.378 1.00 0.00 S ATOM 1634 CE MET A 105 8.629 -8.921 -0.363 1.00 0.00 C ATOM 0 H MET A 105 13.095 -8.596 0.203 1.00 0.00 H new ATOM 0 HA MET A 105 13.129 -9.460 -2.621 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.995 -8.027 -0.968 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.815 -8.542 -2.634 1.00 0.00 H new ATOM 0 HG2 MET A 105 11.397 -10.935 -1.806 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.191 -10.317 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.651 -9.098 0.085 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.368 -8.778 0.425 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.586 -8.028 -0.987 1.00 0.00 H new ATOM 1644 N TYR A 106 13.294 -7.156 -3.648 1.00 0.00 N ATOM 1645 CA TYR A 106 13.658 -5.868 -4.236 1.00 0.00 C ATOM 1646 C TYR A 106 12.513 -5.347 -5.099 1.00 0.00 C ATOM 1647 O TYR A 106 12.386 -5.713 -6.268 1.00 0.00 O ATOM 1648 CB TYR A 106 14.926 -6.026 -5.090 1.00 0.00 C ATOM 1649 CG TYR A 106 15.151 -4.771 -5.904 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.487 -3.575 -5.260 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.017 -4.802 -7.301 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.682 -2.408 -6.009 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.216 -3.636 -8.051 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.549 -2.438 -7.401 1.00 0.00 C ATOM 1655 OH TYR A 106 15.741 -1.287 -8.137 1.00 0.00 O ATOM 0 H TYR A 106 13.101 -7.889 -4.331 1.00 0.00 H new ATOM 0 HA TYR A 106 13.852 -5.154 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 106 15.787 -6.215 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.826 -6.887 -5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.596 -3.552 -4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.760 -5.726 -7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.935 -1.484 -5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.113 -3.659 -9.126 1.00 0.00 H new ATOM 0 HH TYR A 106 15.612 -1.482 -9.089 1.00 0.00 H new ATOM 1665 N CYS A 107 11.691 -4.482 -4.515 1.00 0.00 N ATOM 1666 CA CYS A 107 10.567 -3.899 -5.238 1.00 0.00 C ATOM 1667 C CYS A 107 10.993 -2.604 -5.921 1.00 0.00 C ATOM 1668 O CYS A 107 11.420 -1.656 -5.261 1.00 0.00 O ATOM 1669 CB CYS A 107 9.416 -3.622 -4.273 1.00 0.00 C ATOM 1670 SG CYS A 107 7.970 -3.067 -5.210 1.00 0.00 S ATOM 0 H CYS A 107 11.781 -4.170 -3.548 1.00 0.00 H new ATOM 0 HA CYS A 107 10.235 -4.605 -5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.174 -4.523 -3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.708 -2.861 -3.549 1.00 0.00 H new ATOM 0 HG CYS A 107 6.987 -2.832 -4.392 1.00 0.00 H new ATOM 1676 N SER A 108 10.876 -2.571 -7.245 1.00 0.00 N ATOM 1677 CA SER A 108 11.255 -1.378 -8.002 1.00 0.00 C ATOM 1678 C SER A 108 10.615 -1.395 -9.387 1.00 0.00 C ATOM 1679 O SER A 108 10.200 -2.448 -9.878 1.00 0.00 O ATOM 1680 CB SER A 108 12.777 -1.305 -8.143 1.00 0.00 C ATOM 1681 OG SER A 108 13.125 -0.141 -8.883 1.00 0.00 O ATOM 0 H SER A 108 10.527 -3.344 -7.812 1.00 0.00 H new ATOM 0 HA SER A 108 10.900 -0.502 -7.460 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.244 -1.277 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.150 -2.196 -8.648 1.00 0.00 H new ATOM 0 HG SER A 108 14.101 -0.061 -8.926 1.00 0.00 H new ATOM 1687 N PHE A 109 10.526 -0.221 -10.007 1.00 0.00 N ATOM 1688 CA PHE A 109 9.923 -0.110 -11.334 1.00 0.00 C ATOM 1689 C PHE A 109 10.966 -0.400 -12.408 1.00 0.00 C ATOM 1690 O PHE A 109 11.041 0.298 -13.418 1.00 0.00 O ATOM 1691 CB PHE A 109 9.368 1.301 -11.536 1.00 0.00 C ATOM 1692 CG PHE A 109 8.672 1.753 -10.278 1.00 0.00 C ATOM 1693 CD1 PHE A 109 9.414 2.338 -9.247 1.00 0.00 C ATOM 1694 CD2 PHE A 109 7.288 1.594 -10.142 1.00 0.00 C ATOM 1695 CE1 PHE A 109 8.772 2.762 -8.077 1.00 0.00 C ATOM 1696 CE2 PHE A 109 6.647 2.020 -8.972 1.00 0.00 C ATOM 1697 CZ PHE A 109 7.390 2.604 -7.940 1.00 0.00 C ATOM 0 H PHE A 109 10.860 0.660 -9.617 1.00 0.00 H new ATOM 0 HA PHE A 109 9.113 -0.835 -11.413 1.00 0.00 H new ATOM 0 HB2 PHE A 109 10.176 1.989 -11.784 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.671 1.312 -12.374 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.482 2.463 -9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.715 1.143 -10.939 1.00 0.00 H new ATOM 0 HE1 PHE A 109 9.345 3.212 -7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.579 1.898 -8.866 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.896 2.933 -7.038 1.00 0.00 H new ATOM 1707 N SER A 110 11.771 -1.432 -12.182 1.00 0.00 N ATOM 1708 CA SER A 110 12.813 -1.809 -13.131 1.00 0.00 C ATOM 1709 C SER A 110 13.007 -3.315 -13.127 1.00 0.00 C ATOM 1710 O SER A 110 12.343 -4.032 -12.380 1.00 0.00 O ATOM 1711 CB SER A 110 14.129 -1.122 -12.774 1.00 0.00 C ATOM 1712 OG SER A 110 13.944 0.286 -12.810 1.00 0.00 O ATOM 0 H SER A 110 11.723 -2.022 -11.351 1.00 0.00 H new ATOM 0 HA SER A 110 12.504 -1.491 -14.127 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.458 -1.433 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.909 -1.417 -13.476 1.00 0.00 H new ATOM 0 HG SER A 110 14.785 0.732 -12.580 1.00 0.00 H new ATOM 1718 N ALA A 111 13.918 -3.792 -13.974 1.00 0.00 N ATOM 1719 CA ALA A 111 14.194 -5.225 -14.076 1.00 0.00 C ATOM 1720 C ALA A 111 15.564 -5.553 -13.470 1.00 0.00 C ATOM 1721 O ALA A 111 16.342 -4.654 -13.155 1.00 0.00 O ATOM 1722 CB ALA A 111 14.140 -5.664 -15.559 1.00 0.00 C ATOM 0 H ALA A 111 14.476 -3.209 -14.598 1.00 0.00 H new ATOM 0 HA ALA A 111 13.435 -5.771 -13.517 1.00 0.00 H new ATOM 0 HB1 ALA A 111 14.346 -6.732 -15.630 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.149 -5.458 -15.964 1.00 0.00 H new ATOM 0 HB3 ALA A 111 14.887 -5.112 -16.129 1.00 0.00 H new ATOM 1728 N PRO A 112 15.870 -6.818 -13.319 1.00 0.00 N ATOM 1729 CA PRO A 112 17.178 -7.268 -12.753 1.00 0.00 C ATOM 1730 C PRO A 112 18.367 -6.627 -13.474 1.00 0.00 C ATOM 1731 O PRO A 112 19.363 -6.262 -12.848 1.00 0.00 O ATOM 1732 CB PRO A 112 17.163 -8.792 -12.969 1.00 0.00 C ATOM 1733 CG PRO A 112 15.720 -9.163 -13.051 1.00 0.00 C ATOM 1734 CD PRO A 112 15.003 -7.962 -13.667 1.00 0.00 C ATOM 0 HA PRO A 112 17.292 -6.982 -11.707 1.00 0.00 H new ATOM 0 HB2 PRO A 112 17.692 -9.065 -13.882 1.00 0.00 H new ATOM 0 HB3 PRO A 112 17.657 -9.311 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.582 -10.054 -13.663 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.320 -9.390 -12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.897 -8.070 -14.746 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.000 -7.842 -13.259 1.00 0.00 H new ATOM 1742 N ASP A 113 18.258 -6.504 -14.797 1.00 0.00 N ATOM 1743 CA ASP A 113 19.331 -5.915 -15.596 1.00 0.00 C ATOM 1744 C ASP A 113 19.177 -4.400 -15.665 1.00 0.00 C ATOM 1745 O ASP A 113 19.981 -3.713 -16.299 1.00 0.00 O ATOM 1746 CB ASP A 113 19.306 -6.495 -17.012 1.00 0.00 C ATOM 1747 CG ASP A 113 17.934 -6.284 -17.642 1.00 0.00 C ATOM 1748 OD1 ASP A 113 17.161 -5.522 -17.084 1.00 0.00 O ATOM 1749 OD2 ASP A 113 17.678 -6.882 -18.674 1.00 0.00 O ATOM 0 H ASP A 113 17.444 -6.802 -15.334 1.00 0.00 H new ATOM 0 HA ASP A 113 20.283 -6.152 -15.122 1.00 0.00 H new ATOM 0 HB2 ASP A 113 20.072 -6.017 -17.622 1.00 0.00 H new ATOM 0 HB3 ASP A 113 19.541 -7.559 -16.981 1.00 0.00 H new ATOM 1754 N ASP A 114 18.146 -3.883 -15.007 1.00 0.00 N ATOM 1755 CA ASP A 114 17.899 -2.448 -15.000 1.00 0.00 C ATOM 1756 C ASP A 114 17.869 -1.902 -16.422 1.00 0.00 C ATOM 1757 O ASP A 114 16.957 -1.149 -16.728 1.00 0.00 O ATOM 1758 CB ASP A 114 18.992 -1.738 -14.199 1.00 0.00 C ATOM 1759 CG ASP A 114 18.938 -2.175 -12.740 1.00 0.00 C ATOM 1760 OD1 ASP A 114 19.598 -3.145 -12.406 1.00 0.00 O ATOM 1761 OD2 ASP A 114 18.244 -1.526 -11.972 1.00 0.00 O ATOM 0 H ASP A 114 17.472 -4.433 -14.475 1.00 0.00 H new ATOM 0 HA ASP A 114 16.930 -2.265 -14.535 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.971 -1.969 -14.620 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.862 -0.658 -14.269 1.00 0.00 H new